2-[2-[[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]oxy]phenyl]ethanol

C17H20N2O2 — CID 107711739

IUPAC2-[2-[[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]oxy]phenyl]ethanol
SMILESNCc1cc2c(nc1Oc1ccccc1CCO)CCC2
InChIInChI=1S/C17H20N2O2/c18-11-14-10-13-5-3-6-15(13)19-17(14)21-16-7-2-1-4-12(16)8-9-20/h1-2,4,7,10,20H,3,5-6,8-9,11,18H2
InChIKeyCCXYWHCYETXSLN-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.36
Rot. Bonds5

About 2-[2-[[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]oxy]phenyl]ethanol

2-[2-[[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]oxy]phenyl]ethanol (PubChem CID 107711739) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[2-[[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]oxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[2-[[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]oxy]phenyl]ethanol
PubChem CID107711739
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-[2-[[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]oxy]phenyl]ethanol
SMILESNCc1cc2c(nc1Oc1ccccc1CCO)CCC2
InChIInChI=1S/C17H20N2O2/c18-11-14-10-13-5-3-6-15(13)19-17(14)21-16-7-2-1-4-12(16)8-9-20/h1-2,4,7,10,20H,3,5-6,8-9,11,18H2
InChIKeyCCXYWHCYETXSLN-UHFFFAOYSA-N
XLogP2.36
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]oxy]phenyl]ethanol?
The IUPAC name of 2-[2-[[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]oxy]phenyl]ethanol (CID 107711739) is 2-[2-[[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]oxy]phenyl]ethanol.
What is the SMILES notation for 2-[2-[[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]oxy]phenyl]ethanol?
The canonical SMILES for 2-[2-[[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]oxy]phenyl]ethanol is NCc1cc2c(nc1Oc1ccccc1CCO)CCC2.
What is the InChIKey of 2-[2-[[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]oxy]phenyl]ethanol?
The InChIKey is CCXYWHCYETXSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c18-11-14-10-13-5-3-6-15(13)19-17(14)21-16-7-2-1-4-12(16)8-9-20/h1-2,4,7,10,20H,3,5-6,8-9,11,18H2.
What are the key properties of 2-[2-[[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]oxy]phenyl]ethanol?
2-[2-[[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]oxy]phenyl]ethanol has a molecular weight of 284.36 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]oxy]phenyl]ethanol is sourced from PubChem (CID 107711739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).